#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mm4 n ASN 2 N 0.00 -6.48 0.28 7.83 4.13 -1.26 -3.49 115.26 116.28 1mm4 n ASN 2 Ca 0.00 1.71 0.16 0.00 1.68 0.00 0.00 54.58 58.13 1mm4 n ASN 2 Cb 0.00 -5.29 0.93 0.00 -1.54 0.00 0.00 39.78 33.87 1mm4 n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mm4 h ALA 3 N 4.26 1.53 0.11 5.41 0.00 -2.04 0.83 119.26 129.35 1mm4 h ALA 3 Ca -0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mm4 h ALA 3 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1mm4 h ALA 3 CO 0.00 -0.06 -0.05 0.22 0.00 0.00 0.00 179.25 179.36 1mm4 h ASP 4 N 0.00 -0.12 0.70 0.00 3.58 -1.99 -2.65 116.42 115.93 1mm4 h ASP 4 Ca 0.02 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 1mm4 h ASP 4 Cb 0.10 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1mm4 h ASP 4 CO -0.00 0.47 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.20 1mm4 h GLU 5 N -0.99 0.00 -0.31 0.28 5.08 -1.75 -1.56 114.58 115.33 1mm4 h GLU 5 Ca -0.01 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1mm4 h GLU 5 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1mm4 h GLU 5 CO 0.02 0.30 -0.51 2.35 -1.00 0.00 0.00 179.01 180.17 1mm4 h TRP 6 N 0.00 1.08 0.05 4.33 7.01 0.65 -3.02 115.95 126.04 1mm4 h TRP 6 Ca -0.00 -0.37 -0.23 0.00 2.11 0.00 0.00 58.89 60.40 1mm4 h TRP 6 Cb 0.72 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1mm4 h TRP 6 CO 0.00 1.19 -1.03 0.52 -2.79 0.00 0.00 178.44 176.33 1mm4 h MET 7 N 0.68 0.24 -0.01 2.65 2.86 -1.31 -3.22 114.93 116.82 1mm4 h MET 7 Ca 0.03 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1mm4 h MET 7 Cb 1.11 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 1mm4 h MET 7 CO 0.11 1.08 0.01 1.79 1.06 0.00 0.00 176.91 180.97 1mm4 h THR 8 N 0.11 1.00 -0.23 2.22 1.35 -1.28 -1.32 112.91 114.75 1mm4 h THR 8 Ca -0.08 -0.01 0.04 0.00 -0.55 0.00 0.00 66.41 65.81 1mm4 h THR 8 Cb 1.72 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1mm4 h THR 8 CO 0.16 0.00 0.16 0.74 -0.25 0.00 0.00 175.52 176.34 1mm4 h THR 9 N 0.02 0.97 0.01 6.82 2.02 -1.53 -0.13 112.91 121.08 1mm4 h THR 9 Ca 0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1mm4 h THR 9 Cb 0.00 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1mm4 h THR 9 CO -0.00 0.03 -0.00 -0.26 0.37 0.00 0.00 175.52 175.65 1mm4 h PHE 10 N 0.16 -0.01 -0.16 3.16 -1.00 -1.41 -0.89 116.94 116.79 1mm4 h PHE 10 Ca 0.10 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.80 1mm4 h PHE 10 Cb 0.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1mm4 h PHE 10 CO -0.00 0.37 -0.26 -0.09 -1.61 0.00 0.00 178.31 176.72 1mm4 h ARG 11 N -0.39 0.29 -0.06 1.51 1.12 -1.50 -2.29 114.38 113.06 1mm4 h ARG 11 Ca -0.00 -0.10 -0.15 0.00 -1.11 0.00 0.00 59.98 58.62 1mm4 h ARG 11 Cb 0.38 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 1mm4 h ARG 11 CO 0.00 0.53 -0.61 1.49 -3.11 0.00 0.00 179.97 178.27 1mm4 h GLU 12 N 0.26 0.22 -0.24 0.20 4.81 -0.97 -0.95 114.58 117.91 1mm4 h GLU 12 Ca 0.04 -0.15 -0.20 0.00 -0.13 0.00 0.00 59.36 58.92 1mm4 h GLU 12 Cb 0.61 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1mm4 h GLU 12 CO 0.04 0.76 -0.63 -0.91 -0.73 0.00 0.00 179.01 177.54 1mm4 h ASN 13 N 0.16 0.96 -0.10 1.04 2.35 -0.82 -1.67 115.58 117.50 1mm4 h ASN 13 Ca -0.01 -0.55 -0.22 0.00 -0.55 0.00 0.00 56.30 54.97 1mm4 h ASN 13 Cb 1.12 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 39.22 1mm4 h ASN 13 CO 0.09 1.35 -0.80 0.40 -1.65 0.00 0.00 177.43 176.82 1mm4 h ILE 14 N 0.62 1.29 -0.06 2.81 2.04 -1.39 -2.43 117.51 120.40 1mm4 h ILE 14 Ca -0.01 -2.03 -0.09 0.00 1.00 0.00 0.00 64.86 63.74 1mm4 h ILE 14 Cb 1.25 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 1mm4 h ILE 14 CO 0.14 0.63 -0.37 0.00 0.00 0.00 0.00 178.15 178.55 1mm4 h ALA 15 N 0.49 1.29 0.03 1.87 0.00 -1.21 -1.77 119.26 119.95 1mm4 h ALA 15 Ca -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1mm4 h ALA 15 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1mm4 h ALA 15 CO 0.16 0.51 -0.01 1.96 0.00 0.00 0.00 179.25 181.87 1mm4 h GLN 16 N 0.10 -0.04 -0.53 0.00 1.08 -1.30 -1.85 115.11 112.57 1mm4 h GLN 16 Ca 0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1mm4 h GLN 16 Cb 0.70 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 1mm4 h GLN 16 CO 0.05 0.58 0.32 1.15 -0.95 0.00 0.00 178.83 179.98 1mm4 h THR 17 N -0.70 1.15 0.21 -0.54 2.02 -1.41 0.76 112.91 114.40 1mm4 h THR 17 Ca -0.00 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1mm4 h THR 17 Cb 0.63 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1mm4 h THR 17 CO 0.01 0.16 -0.10 -0.50 0.37 0.00 0.00 175.52 175.45 1mm4 h TRP 18 N 0.73 -0.26 -0.59 3.16 -0.00 -1.36 -3.20 115.95 114.43 1mm4 h TRP 18 Ca 0.19 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.08 1mm4 h TRP 18 Cb -0.03 0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 29.19 1mm4 h TRP 18 CO 0.00 0.13 0.39 1.96 -0.00 0.00 0.00 178.44 180.93 1mm4 h GLN 19 N -0.75 0.78 -7.09 0.49 4.20 -1.15 -3.43 115.11 108.17 1mm4 h GLN 19 Ca -0.03 -0.05 -0.54 0.00 0.06 0.00 0.00 58.65 58.10 1mm4 h GLN 19 Cb 0.50 -0.18 0.12 0.00 0.30 0.00 0.00 27.48 28.23 1mm4 h GLN 19 CO 0.05 0.52 0.50 -0.65 -0.67 0.00 0.00 178.83 178.58 1mm4 s GLN 20 N -5.69 2.98 1.11 1.46 -0.21 0.25 -4.99 119.66 114.57 1mm4 s GLN 20 Ca -0.10 1.92 -0.15 0.00 0.02 0.00 0.00 55.36 57.05 1mm4 s GLN 20 Cb 0.18 -2.00 0.23 0.00 1.00 0.00 0.00 33.01 32.42 1mm4 s GLN 20 CO 0.76 -1.22 0.51 -2.30 -2.12 0.00 0.00 175.29 170.92 1mm4 n PRO 21 N -1.48 -2.98 -0.09 2.91 -0.02 -1.26 -4.93 135.00 127.15 1mm4 n PRO 21 Ca 0.13 -0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 60.63 1mm4 n PRO 21 Cb 0.49 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 32.27 1mm4 n PRO 21 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1mm4 n GLU 22 N -2.80 1.18 -3.83 -0.52 4.07 -1.26 -4.98 120.64 112.49 1mm4 n GLU 22 Ca 0.08 0.02 -0.31 0.00 -0.06 0.00 0.00 57.16 56.89 1mm4 n GLU 22 Cb 0.38 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 30.30 1mm4 n GLU 22 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1mm4 s HIS 23 N -2.40 3.50 -0.02 4.31 3.76 -1.26 -3.76 115.29 119.42 1mm4 s HIS 23 Ca -0.12 0.35 0.04 0.00 -0.15 0.00 0.00 55.06 55.18 1mm4 s HIS 23 Cb 0.05 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1mm4 s HIS 23 CO 0.63 0.53 -0.14 0.71 -0.85 0.00 0.00 174.74 175.63 1mm4 s TYR 24 N -1.57 1.33 0.34 1.40 2.02 -0.96 -4.67 117.35 115.25 1mm4 s TYR 24 Ca 0.37 -0.30 0.09 0.00 -0.37 0.00 0.00 57.07 56.86 1mm4 s TYR 24 Cb -0.13 -0.88 -0.07 0.00 -0.40 0.00 0.00 41.96 40.49 1mm4 s TYR 24 CO 0.27 -0.08 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.58 1mm4 s ASP 25 N -0.12 3.64 -0.02 2.29 1.01 -0.30 -1.72 116.67 121.46 1mm4 s ASP 25 Ca 0.01 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 52.06 1mm4 s ASP 25 Cb -0.08 -0.33 0.02 0.00 1.01 0.00 0.00 42.92 43.54 1mm4 s ASP 25 CO 0.00 -0.25 0.02 -0.22 0.21 0.00 0.00 175.17 174.94 1mm4 s LEU 26 N -3.60 1.30 -0.29 1.23 2.96 -0.65 -1.96 118.68 117.67 1mm4 s LEU 26 Ca 0.32 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1mm4 s LEU 26 Cb 0.03 -0.08 0.03 0.00 0.50 0.00 0.00 46.19 46.68 1mm4 s LEU 26 CO 0.16 -0.09 0.01 -0.47 -1.32 0.00 0.00 176.35 174.64 1mm4 s TYR 27 N 0.82 3.16 -0.04 5.38 5.04 -0.92 -2.59 117.35 128.20 1mm4 s TYR 27 Ca -0.07 -1.46 0.04 0.00 -2.44 0.00 0.00 57.07 53.15 1mm4 s TYR 27 Cb -0.10 -2.15 -0.00 0.00 0.35 0.00 0.00 41.96 40.05 1mm4 s TYR 27 CO -0.02 -0.71 -0.17 0.42 -1.34 0.00 0.00 175.55 173.74 1mm4 s ILE 28 N 1.37 1.39 0.38 3.14 1.01 -1.06 -2.49 121.20 124.92 1mm4 s ILE 28 Ca -0.01 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 1mm4 s ILE 28 Cb -0.18 -1.19 -0.09 0.00 0.01 0.00 0.00 42.46 41.02 1mm4 s ILE 28 CO -0.01 0.40 1.18 -2.16 0.00 0.00 0.00 174.94 174.35 1mm4 s PRO 29 N -0.01 4.14 -0.09 2.79 0.04 -1.26 -2.59 135.00 138.02 1mm4 s PRO 29 Ca -0.02 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 1mm4 s PRO 29 Cb -0.11 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1mm4 s PRO 29 CO 0.02 -0.26 -0.12 0.00 0.04 0.00 0.00 177.00 176.67 1mm4 n ALA 30 N 0.25 0.31 -2.75 8.56 0.00 -1.26 -4.88 120.51 120.74 1mm4 n ALA 30 Ca 0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 1mm4 n ALA 30 Cb 0.46 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 1mm4 n ALA 30 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mm4 s ILE 31 N -1.81 0.90 0.03 0.00 -4.36 -1.26 -4.96 121.20 109.75 1mm4 s ILE 31 Ca -0.10 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1mm4 s ILE 31 Cb 0.01 -0.88 0.00 0.00 1.25 0.00 0.00 42.46 42.84 1mm4 s ILE 31 CO 0.15 -0.22 0.00 0.41 0.24 0.00 0.00 174.94 175.52 1mm4 n THR 32 N 1.52 0.41 -1.97 8.37 -1.04 -1.26 -5.10 114.28 115.20 1mm4 n THR 32 Ca -0.21 0.13 -0.17 0.00 -2.04 0.00 0.00 64.05 61.77 1mm4 n THR 32 Cb 0.55 -1.18 0.11 0.00 -1.82 0.00 0.00 70.33 67.98 1mm4 n THR 32 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1mm4 n TRP 33 N -2.83 -3.61 -1.79 -1.42 7.02 -1.26 -4.91 117.44 108.64 1mm4 n TRP 33 Ca 0.00 -0.91 -0.19 0.00 -1.02 0.00 0.00 57.50 55.38 1mm4 n TRP 33 Cb 0.00 -0.57 -0.06 0.00 -2.42 0.00 0.00 31.31 28.26 1mm4 n TRP 33 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 1mm4 s HIS 34 N -2.42 1.45 -0.02 -5.99 3.76 -1.26 -4.80 115.29 106.02 1mm4 s HIS 34 Ca 0.45 1.39 -0.30 0.00 -0.15 0.00 0.00 55.06 56.45 1mm4 s HIS 34 Cb -0.02 -3.70 0.11 0.00 1.11 0.00 0.00 32.58 30.08 1mm4 s HIS 34 CO 0.31 -1.57 1.13 0.00 -0.85 0.00 0.00 174.74 173.75 1mm4 s ALA 35 N 12.85 -1.99 -0.29 -1.40 0.00 -1.26 -5.17 121.76 124.49 1mm4 s ALA 35 Ca 0.82 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 1mm4 s ALA 35 Cb -0.09 0.32 0.12 0.00 0.00 0.00 0.00 23.12 23.47 1mm4 s ALA 35 CO 0.05 -0.88 0.73 0.50 0.00 0.00 0.00 175.76 176.16 1mm4 s ARG 36 N -2.74 0.56 -0.39 0.00 3.52 -1.26 -4.82 118.95 113.82 1mm4 s ARG 36 Ca 0.11 1.23 -0.12 0.00 -0.13 0.00 0.00 55.73 56.83 1mm4 s ARG 36 Cb 0.01 0.56 0.01 0.00 -1.56 0.00 0.00 34.95 33.98 1mm4 s ARG 36 CO -0.03 -0.16 0.44 1.19 -0.81 0.00 0.00 175.30 175.92 1mm4 n PHE 37 N 4.95 -3.54 -1.78 5.12 3.72 -1.26 -4.77 117.46 119.90 1mm4 n PHE 37 Ca -0.14 1.46 -0.21 0.00 -0.05 0.00 0.00 57.45 58.51 1mm4 n PHE 37 Cb 0.53 -4.01 -0.06 0.00 -0.94 0.00 0.00 39.48 35.00 1mm4 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mm4 s ALA 38 N -2.32 1.19 1.00 4.37 0.00 -1.26 -4.94 121.76 119.80 1mm4 s ALA 38 Ca 0.18 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1mm4 s ALA 38 Cb -0.05 -4.55 0.19 0.00 0.00 0.00 0.00 23.12 18.71 1mm4 s ALA 38 CO 0.75 -5.32 1.08 -0.47 0.00 0.00 0.00 175.76 171.80 1mm4 s TYR 39 N 12.56 2.00 -0.49 0.00 5.04 -1.26 -4.90 117.35 130.29 1mm4 s TYR 39 Ca 0.83 1.12 -0.28 0.00 -2.44 0.00 0.00 57.07 56.30 1mm4 s TYR 39 Cb -0.11 -3.21 -0.01 0.00 0.35 0.00 0.00 41.96 38.99 1mm4 s TYR 39 CO 0.06 -2.96 1.68 -0.51 -1.34 0.00 0.00 175.55 172.48 1mm4 s ASP 40 N -3.24 5.79 0.42 4.32 1.01 -1.26 -4.84 116.67 118.87 1mm4 s ASP 40 Ca 0.65 0.67 0.22 0.00 0.71 0.00 0.00 52.55 54.81 1mm4 s ASP 40 Cb -0.20 -2.53 0.85 0.00 1.01 0.00 0.00 42.92 42.05 1mm4 s ASP 40 CO 0.59 -1.90 1.80 0.50 0.21 0.00 0.00 175.17 176.37 1mm4 h LYS 41 N 12.87 0.00 0.00 8.23 3.64 -2.02 -3.46 116.57 135.83 1mm4 h LYS 41 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1mm4 h LYS 41 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1mm4 h LYS 41 CO 1.14 0.27 0.00 -1.91 -2.27 0.00 0.00 179.45 176.67 1mm4 n GLU 42 N -3.44 0.00 -1.70 1.90 4.07 -1.26 -4.65 120.64 115.55 1mm4 n GLU 42 Ca -0.00 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.71 1mm4 n GLU 42 Cb 0.45 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.79 1mm4 n GLU 42 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1mm4 n LYS 43 N 0.00 2.03 -3.90 5.31 4.01 -1.26 -4.85 118.16 119.50 1mm4 n LYS 43 Ca 0.00 -2.36 -0.28 0.00 -0.51 0.00 0.00 58.31 55.17 1mm4 n LYS 43 Cb 0.00 -3.28 -0.17 0.00 -0.51 0.00 0.00 35.03 31.07 1mm4 n LYS 43 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1mm4 s THR 44 N 6.12 1.09 -0.12 -0.18 2.01 -1.26 -5.00 115.64 118.30 1mm4 s THR 44 Ca 0.58 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1mm4 s THR 44 Cb 0.09 -1.20 -0.24 0.00 0.01 0.00 0.00 72.50 71.15 1mm4 s THR 44 CO 0.08 0.23 0.34 0.47 -0.69 0.00 0.00 174.62 175.05 1mm4 n ASP 45 N 4.90 1.74 -4.86 3.53 9.92 -1.26 -4.93 116.55 125.59 1mm4 n ASP 45 Ca -0.12 0.20 -0.32 0.00 -0.53 0.00 0.00 54.79 54.02 1mm4 n ASP 45 Cb 0.49 -0.55 -0.05 0.00 -0.64 0.00 0.00 41.12 40.37 1mm4 n ASP 45 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1mm4 s ARG 46 N -2.56 3.94 0.64 -1.24 6.06 -1.26 -5.05 118.95 119.47 1mm4 s ARG 46 Ca -0.20 0.61 -0.16 0.00 -2.50 0.00 0.00 55.73 53.49 1mm4 s ARG 46 Cb 0.07 -2.42 -0.01 0.00 0.06 0.00 0.00 34.95 32.65 1mm4 s ARG 46 CO 0.76 0.10 1.12 -0.47 -2.50 0.00 0.00 175.30 174.31 1mm4 s TYR 47 N -2.10 2.60 -0.31 5.12 5.04 -1.26 -5.02 117.35 121.42 1mm4 s TYR 47 Ca 0.53 1.55 -0.05 0.00 -2.44 0.00 0.00 57.07 56.66 1mm4 s TYR 47 Cb -0.10 -3.22 0.03 0.00 0.35 0.00 0.00 41.96 39.03 1mm4 s TYR 47 CO 0.21 -1.72 0.06 -0.80 -1.34 0.00 0.00 175.55 171.97 1mm4 s ASN 48 N -2.36 5.09 0.25 4.32 0.02 -1.26 -5.10 114.94 115.90 1mm4 s ASN 48 Ca 0.69 -1.06 0.09 0.00 -1.02 0.00 0.00 52.86 51.56 1mm4 s ASN 48 Cb -0.22 -1.82 -0.04 0.00 0.02 0.00 0.00 41.25 39.19 1mm4 s ASN 48 CO 0.38 -0.27 0.01 -1.61 0.02 0.00 0.00 177.10 175.63 1mm4 s GLU 49 N 1.38 2.35 0.18 -0.60 2.02 -1.26 -5.14 118.70 117.63 1mm4 s GLU 49 Ca -0.01 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 53.66 1mm4 s GLU 49 Cb -0.19 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1mm4 s GLU 49 CO 0.01 0.39 0.33 1.03 0.02 0.00 0.00 175.26 177.04 1mm4 s ARG 50 N -3.53 3.47 0.51 1.61 0.52 -1.26 -5.09 118.95 115.18 1mm4 s ARG 50 Ca 0.31 -0.52 -0.21 0.00 -0.52 0.00 0.00 55.73 54.78 1mm4 s ARG 50 Cb -0.07 -2.91 -0.07 0.00 0.52 0.00 0.00 34.95 32.42 1mm4 s ARG 50 CO 0.20 0.47 1.14 -1.25 0.02 0.00 0.00 175.30 175.88 1mm4 s PRO 51 N -3.35 3.53 -1.05 3.54 0.04 -1.26 -4.96 135.00 131.49 1mm4 s PRO 51 Ca 0.36 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 1mm4 s PRO 51 Cb -0.11 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.38 1mm4 s PRO 51 CO 0.29 -0.72 1.31 -1.58 0.04 0.00 0.00 177.00 176.33 1mm4 s TRP 52 N -1.67 3.13 -0.36 0.56 0.51 -1.26 -4.85 118.94 115.00 1mm4 s TRP 52 Ca 0.69 -1.56 0.06 0.00 -2.12 0.00 0.00 56.10 53.17 1mm4 s TRP 52 Cb -0.26 -4.38 0.19 0.00 -0.81 0.00 0.00 33.47 28.21 1mm4 s TRP 52 CO 0.30 -1.54 0.64 0.20 -0.51 0.00 0.00 176.95 176.04 1mm4 s GLY 53 N 3.61 -1.27 0.00 0.98 0.00 -1.24 -3.20 107.32 106.19 1mm4 s GLY 53 Ca 0.39 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1mm4 s GLY 53 CO -0.05 3.71 0.00 0.61 0.00 0.00 0.00 173.10 177.36 1mm4 n GLY 54 N 4.81 -1.41 0.00 0.20 0.00 -1.07 -4.23 105.19 103.48 1mm4 n GLY 54 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1mm4 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mm4 n GLY 55 N -0.12 1.09 3.57 -0.02 0.00 -1.04 -1.68 105.19 106.99 1mm4 n GLY 55 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1mm4 n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mm4 s PHE 56 N -0.27 2.01 -0.05 1.61 -0.12 -0.95 -2.17 117.98 118.04 1mm4 s PHE 56 Ca 0.00 -0.98 -0.07 0.00 -0.05 0.00 0.00 56.93 55.83 1mm4 s PHE 56 Cb 0.00 -1.43 0.01 0.00 -0.63 0.00 0.00 43.02 40.97 1mm4 s PHE 56 CO 0.00 0.07 0.18 0.20 -0.05 0.00 0.00 175.22 175.62 1mm4 s GLY 57 N -3.65 -0.09 0.49 1.99 0.00 -0.83 -1.73 107.32 103.49 1mm4 s GLY 57 Ca 0.26 0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1mm4 s GLY 57 CO 0.13 0.27 0.03 1.08 0.00 0.00 0.00 173.10 174.60 1mm4 s LEU 58 N -0.29 2.25 0.06 0.66 1.43 0.45 -1.15 118.68 122.09 1mm4 s LEU 58 Ca -0.04 -1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 51.13 1mm4 s LEU 58 Cb -0.03 -0.62 0.09 0.00 0.03 0.00 0.00 46.19 45.67 1mm4 s LEU 58 CO 0.01 -0.86 1.07 -0.94 0.23 0.00 0.00 176.35 175.86 1mm4 s SER 59 N -3.82 -0.16 0.28 2.29 1.04 -1.26 -1.60 113.70 110.48 1mm4 s SER 59 Ca 0.10 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.31 1mm4 s SER 59 Cb 0.02 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 1mm4 s SER 59 CO 0.06 -0.63 0.07 -0.60 0.98 0.00 0.00 173.24 173.12 1mm4 s ARG 60 N -2.93 1.48 0.14 4.02 3.52 -1.07 -4.78 118.95 119.33 1mm4 s ARG 60 Ca 0.12 -1.80 0.05 0.00 -0.13 0.00 0.00 55.73 53.96 1mm4 s ARG 60 Cb 0.01 -0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1mm4 s ARG 60 CO -0.02 -0.24 0.12 1.67 -0.81 0.00 0.00 175.30 176.02 1mm4 s TRP 61 N -3.56 3.15 -0.07 5.12 -2.14 -1.26 -2.28 118.94 117.90 1mm4 s TRP 61 Ca 0.36 0.01 -0.03 0.00 2.66 0.00 0.00 56.10 59.10 1mm4 s TRP 61 Cb 0.08 -1.54 0.04 0.00 -3.10 0.00 0.00 33.47 28.95 1mm4 s TRP 61 CO 0.14 0.52 0.13 0.34 -2.66 0.00 0.00 176.95 175.41 1mm4 s ASP 62 N -2.90 0.57 0.67 -2.66 -1.08 0.49 -4.88 116.67 106.88 1mm4 s ASP 62 Ca 0.30 0.25 0.35 0.00 -0.52 0.00 0.00 52.55 52.94 1mm4 s ASP 62 Cb -0.11 0.15 1.92 0.00 -1.46 0.00 0.00 42.92 43.42 1mm4 s ASP 62 CO 0.23 -0.21 2.09 -0.33 0.52 0.00 0.00 175.17 177.46 1mm4 h GLU 63 N 8.03 0.00 -0.92 4.34 5.08 -2.00 -0.03 114.58 129.08 1mm4 h GLU 63 Ca -0.23 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1mm4 h GLU 63 Cb 1.12 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1mm4 h GLU 63 CO 0.24 0.00 0.20 0.36 -1.00 0.00 0.00 179.01 178.81 1mm4 n LYS 64 N -2.97 2.13 -3.28 2.33 2.85 -1.26 -4.85 118.16 113.11 1mm4 n LYS 64 Ca -0.02 -1.51 -0.17 0.00 -1.05 0.00 0.00 58.31 55.56 1mm4 n LYS 64 Cb 0.27 -1.70 0.07 0.00 -0.65 0.00 0.00 35.03 33.02 1mm4 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mm4 n GLY 65 N -0.07 -0.21 3.21 2.58 0.00 -0.04 -5.03 105.19 105.63 1mm4 n GLY 65 Ca 0.23 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 1mm4 n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mm4 s ASN 66 N -3.53 1.64 -0.08 1.61 0.01 -1.08 -4.95 114.94 108.56 1mm4 s ASN 66 Ca 0.30 -0.89 -0.03 0.00 -0.71 0.00 0.00 52.86 51.53 1mm4 s ASN 66 Cb -0.13 -0.01 0.04 0.00 0.41 0.00 0.00 41.25 41.56 1mm4 s ASN 66 CO 0.57 -0.28 0.16 0.26 -1.51 0.00 0.00 177.10 176.31 1mm4 s TRP 67 N -2.76 -0.19 0.37 2.20 0.51 -0.98 -0.38 118.94 117.71 1mm4 s TRP 67 Ca 0.10 0.58 -0.27 0.00 -2.12 0.00 0.00 56.10 54.39 1mm4 s TRP 67 Cb -0.01 -0.15 -0.09 0.00 -0.81 0.00 0.00 33.47 32.41 1mm4 s TRP 67 CO 0.00 -0.22 1.26 -1.58 -0.51 0.00 0.00 176.95 175.90 1mm4 s HIS 68 N 1.71 3.01 -0.22 -1.98 2.46 -0.97 -1.32 115.29 117.99 1mm4 s HIS 68 Ca -0.04 1.47 0.00 0.00 0.47 0.00 0.00 55.06 56.97 1mm4 s HIS 68 Cb -0.12 -3.58 0.03 0.00 -0.13 0.00 0.00 32.58 28.78 1mm4 s HIS 68 CO -0.06 -1.71 -0.13 0.20 -2.47 0.00 0.00 174.74 170.57 1mm4 s GLY 69 N -0.76 1.53 -0.00 1.59 0.00 -0.77 -2.59 107.32 106.31 1mm4 s GLY 69 Ca 0.53 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1mm4 s GLY 69 CO 0.47 0.43 -0.14 1.08 0.00 0.00 0.00 173.10 174.94 1mm4 s LEU 70 N 1.27 2.05 0.01 0.66 1.02 -0.62 -1.18 118.68 121.90 1mm4 s LEU 70 Ca 0.01 -0.29 -0.08 0.00 0.02 0.00 0.00 54.13 53.78 1mm4 s LEU 70 Cb -0.16 -0.71 0.00 0.00 0.02 0.00 0.00 46.19 45.34 1mm4 s LEU 70 CO -0.08 0.15 0.16 -0.31 0.02 0.00 0.00 176.35 176.28 1mm4 s TYR 71 N -0.42 0.05 -0.24 0.29 2.02 -0.05 -0.41 117.35 118.59 1mm4 s TYR 71 Ca 0.05 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1mm4 s TYR 71 Cb -0.06 -0.05 0.13 0.00 -0.40 0.00 0.00 41.96 41.58 1mm4 s TYR 71 CO -0.00 -0.33 0.35 0.00 -1.57 0.00 0.00 175.55 174.00 1mm4 s ALA 72 N -1.79 -0.96 0.51 3.71 0.00 -0.71 -0.92 121.76 121.59 1mm4 s ALA 72 Ca -0.11 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1mm4 s ALA 72 Cb -0.05 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1mm4 s ALA 72 CO -0.00 -1.25 0.00 -1.64 0.00 0.00 0.00 175.76 172.87 1mm4 s MET 73 N 2.51 2.18 -0.17 0.00 -1.94 -1.07 -2.25 119.30 118.57 1mm4 s MET 73 Ca 0.12 -2.39 -0.14 0.00 -1.71 0.00 0.00 55.69 51.57 1mm4 s MET 73 Cb -0.15 -1.52 0.05 0.00 2.01 0.00 0.00 34.83 35.21 1mm4 s MET 73 CO -0.15 -0.35 0.44 0.00 -0.01 0.00 0.00 175.02 174.95 1mm4 s ALA 74 N -2.88 -1.10 0.10 3.03 0.00 -0.68 -1.61 121.76 118.62 1mm4 s ALA 74 Ca 0.07 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1mm4 s ALA 74 Cb 0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1mm4 s ALA 74 CO 0.04 -0.22 -0.12 -0.59 0.00 0.00 0.00 175.76 174.87 1mm4 s PHE 75 N 0.47 1.16 0.17 0.00 -0.12 -1.07 -2.59 117.98 116.00 1mm4 s PHE 75 Ca -0.02 -0.58 -0.27 0.00 -0.05 0.00 0.00 56.93 56.01 1mm4 s PHE 75 Cb -0.04 -0.63 -0.08 0.00 -0.63 0.00 0.00 43.02 41.64 1mm4 s PHE 75 CO -0.02 0.05 0.82 -1.59 -0.05 0.00 0.00 175.22 174.43 1mm4 s LYS 76 N -2.48 4.64 0.00 1.99 -2.85 -1.19 -0.43 119.74 119.42 1mm4 s LYS 76 Ca 0.04 1.24 0.00 0.00 -1.00 0.00 0.00 55.97 56.25 1mm4 s LYS 76 Cb -0.05 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.44 1mm4 s LYS 76 CO 0.01 0.51 0.00 -3.47 0.10 0.00 0.00 175.35 172.51 1mm4 n ASP 77 N 1.75 0.00 0.17 0.03 2.03 -0.53 -4.90 116.55 115.11 1mm4 n ASP 77 Ca -0.04 -0.96 0.02 0.00 0.52 0.00 0.00 54.79 54.33 1mm4 n ASP 77 Cb 0.48 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.18 1mm4 n ASP 77 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1mm4 h SER 78 N 0.00 0.00 -0.85 1.67 0.87 -1.98 -2.87 113.55 110.39 1mm4 h SER 78 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 1mm4 h SER 78 Cb 0.00 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.71 1mm4 h SER 78 CO 0.00 0.45 0.52 0.79 -0.53 0.00 0.00 176.83 178.07 1mm4 n TRP 79 N -3.80 2.66 -2.49 2.24 7.02 -1.26 -4.87 117.44 116.93 1mm4 n TRP 79 Ca -0.01 -1.59 -0.17 0.00 -1.02 0.00 0.00 57.50 54.71 1mm4 n TRP 79 Cb 0.51 -0.83 -0.01 0.00 -2.42 0.00 0.00 31.31 28.56 1mm4 n TRP 79 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1mm4 n ASN 80 N -0.80 -5.01 -4.36 -0.99 4.13 -1.08 -4.94 115.26 102.22 1mm4 n ASN 80 Ca 0.50 0.04 -0.39 0.00 1.68 0.00 0.00 54.58 56.42 1mm4 n ASN 80 Cb 1.50 -4.19 -0.12 0.00 -1.54 0.00 0.00 39.78 35.44 1mm4 n ASN 80 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mm4 s LYS 81 N -5.12 2.91 -0.18 3.52 2.47 -1.26 -4.79 119.74 117.29 1mm4 s LYS 81 Ca 0.03 -1.01 -0.29 0.00 -1.56 0.00 0.00 55.97 53.15 1mm4 s LYS 81 Cb -0.02 -3.58 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 1mm4 s LYS 81 CO 0.04 -0.60 1.61 1.67 0.16 0.00 0.00 175.35 178.23 1mm4 s TRP 82 N 1.52 2.11 -0.23 4.03 1.48 -1.26 -1.45 118.94 125.14 1mm4 s TRP 82 Ca 0.02 0.49 -0.09 0.00 -1.06 0.00 0.00 56.10 55.46 1mm4 s TRP 82 Cb -0.19 -3.93 -0.04 0.00 -1.16 0.00 0.00 33.47 28.15 1mm4 s TRP 82 CO 0.05 -3.09 0.11 -2.00 -4.06 0.00 0.00 176.95 167.96 1mm4 s GLU 83 N 4.47 3.94 0.75 3.25 2.56 0.43 -4.89 118.70 129.21 1mm4 s GLU 83 Ca 0.71 -0.34 -0.11 0.00 0.00 0.00 0.00 54.97 55.23 1mm4 s GLU 83 Cb -0.27 -3.41 0.04 0.00 2.00 0.00 0.00 34.13 32.50 1mm4 s GLU 83 CO 0.28 0.05 1.08 -1.25 -0.56 0.00 0.00 175.26 174.86 1mm4 s PRO 84 N 1.04 2.45 -0.15 4.30 0.04 -1.26 -2.59 135.00 138.83 1mm4 s PRO 84 Ca 0.06 0.79 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 1mm4 s PRO 84 Cb -0.14 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.53 1mm4 s PRO 84 CO 0.04 -1.40 0.30 -1.50 0.04 0.00 0.00 177.00 174.48 1mm4 s ILE 85 N -3.10 -0.47 -0.09 0.56 -1.16 -0.63 -4.57 121.20 111.74 1mm4 s ILE 85 Ca 0.60 0.23 -0.14 0.00 -0.51 0.00 0.00 60.65 60.83 1mm4 s ILE 85 Cb -0.14 -0.51 -0.05 0.00 0.61 0.00 0.00 42.46 42.37 1mm4 s ILE 85 CO 0.55 0.09 0.35 0.00 -2.81 0.00 0.00 174.94 173.12 1mm4 s ALA 86 N 2.47 3.64 -0.02 1.50 0.00 -1.07 -2.60 121.76 125.68 1mm4 s ALA 86 Ca 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1mm4 s ALA 86 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1mm4 s ALA 86 CO -0.10 0.28 -0.09 0.20 0.00 0.00 0.00 175.76 176.05 1mm4 s GLY 87 N -0.25 0.53 0.03 0.00 0.00 -0.10 -0.43 107.32 107.10 1mm4 s GLY 87 Ca 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 1mm4 s GLY 87 CO 0.09 -0.10 0.04 -0.19 0.00 0.00 0.00 173.10 172.93 1mm4 s TYR 88 N 0.17 0.24 -0.87 1.90 2.02 -0.43 -0.87 117.35 119.52 1mm4 s TYR 88 Ca -0.03 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 1mm4 s TYR 88 Cb -0.08 -0.18 0.00 0.00 -0.40 0.00 0.00 41.96 41.30 1mm4 s TYR 88 CO 0.00 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.11 1mm4 n GLY 89 N 1.10 -0.75 3.69 0.71 0.00 -0.32 -0.45 105.19 109.16 1mm4 n GLY 89 Ca -0.21 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1mm4 n GLY 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mm4 s TRP 90 N -3.00 3.01 -0.01 1.61 0.51 -0.85 -1.84 118.94 118.37 1mm4 s TRP 90 Ca 0.00 -0.01 0.01 0.00 -2.12 0.00 0.00 56.10 53.98 1mm4 s TRP 90 Cb 0.00 -1.56 0.00 0.00 -0.81 0.00 0.00 33.47 31.10 1mm4 s TRP 90 CO 0.00 0.48 -0.03 -1.21 -0.51 0.00 0.00 176.95 175.68 1mm4 s GLU 91 N -2.21 0.28 -0.24 4.98 0.41 -0.44 -1.58 118.70 119.90 1mm4 s GLU 91 Ca 0.25 -0.09 -0.03 0.00 -0.41 0.00 0.00 54.97 54.70 1mm4 s GLU 91 Cb -0.12 -0.30 0.08 0.00 -1.78 0.00 0.00 34.13 32.01 1mm4 s GLU 91 CO 0.17 0.04 0.08 0.45 -0.49 0.00 0.00 175.26 175.51 1mm4 s SER 92 N 0.11 3.28 0.03 -0.19 0.15 -1.01 -2.32 113.70 113.76 1mm4 s SER 92 Ca -0.01 -1.12 -0.16 0.00 0.70 0.00 0.00 55.95 55.37 1mm4 s SER 92 Cb -0.03 -0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 63.64 1mm4 s SER 92 CO -0.00 -0.37 0.46 0.42 1.20 0.00 0.00 173.24 174.95 1mm4 s THR 93 N 1.88 4.94 -0.05 6.45 -4.23 -1.26 -1.85 115.64 121.52 1mm4 s THR 93 Ca 0.04 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 61.50 1mm4 s THR 93 Cb -0.17 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 69.93 1mm4 s THR 93 CO -0.19 0.56 -0.04 0.86 -0.54 0.00 0.00 174.62 175.27 1mm4 s TRP 94 N -1.10 0.77 0.01 3.99 -0.00 -0.60 -4.97 118.94 117.03 1mm4 s TRP 94 Ca 0.26 -0.22 0.01 0.00 -0.00 0.00 0.00 56.10 56.15 1mm4 s TRP 94 Cb -0.17 -0.70 -0.01 0.00 -0.00 0.00 0.00 33.47 32.59 1mm4 s TRP 94 CO 0.15 -0.22 -0.05 0.50 -0.00 0.00 0.00 176.95 177.34 1mm4 s ARG 95 N 1.05 0.35 0.52 5.86 3.52 -1.26 -2.15 118.95 126.84 1mm4 s ARG 95 Ca -0.09 -0.30 -0.07 0.00 -0.13 0.00 0.00 55.73 55.14 1mm4 s ARG 95 Cb -0.14 -0.26 0.11 0.00 -1.56 0.00 0.00 34.95 33.10 1mm4 s ARG 95 CO -0.01 0.06 0.26 -2.30 -0.81 0.00 0.00 175.30 172.51 1mm4 n PRO 96 N 2.56 -1.49 -1.69 5.12 -0.02 -1.26 -4.82 135.00 133.40 1mm4 n PRO 96 Ca -0.16 -0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 60.57 1mm4 n PRO 96 Cb 0.58 -0.72 -0.03 0.00 -0.02 0.00 0.00 33.50 33.30 1mm4 n PRO 96 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mm4 n LEU 97 N 0.00 6.92 -2.60 2.45 4.77 -1.26 -4.71 117.00 122.58 1mm4 n LEU 97 Ca 0.04 -4.38 -0.20 0.00 -0.03 0.00 0.00 56.01 51.44 1mm4 n LEU 97 Cb 0.18 -1.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1mm4 n LEU 97 CO 0.12 1.80 -0.10 0.00 -1.33 0.00 0.00 177.39 177.88 1mm4 n ALA 98 N 0.72 -0.78 -0.06 -1.18 0.00 -1.26 -4.89 120.51 113.06 1mm4 n ALA 98 Ca 0.52 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 1mm4 n ALA 98 Cb 0.44 -3.06 -0.04 0.00 0.00 0.00 0.00 19.45 16.79 1mm4 n ALA 98 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mm4 n ASP 99 N -2.05 1.18 -0.09 0.00 2.03 -1.26 -4.80 116.55 111.56 1mm4 n ASP 99 Ca -0.16 0.20 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 1mm4 n ASP 99 Cb 0.64 -0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 40.42 1mm4 n ASP 99 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1mm4 n GLU 100 N -3.76 0.68 -3.23 -0.67 4.07 -1.26 -5.00 120.64 111.47 1mm4 n GLU 100 Ca -0.23 0.04 -0.20 0.00 -0.06 0.00 0.00 57.16 56.71 1mm4 n GLU 100 Cb 0.59 -1.56 0.05 0.00 -0.06 0.00 0.00 31.44 30.46 1mm4 n GLU 100 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1mm4 n ASN 101 N -2.82 -5.73 -4.71 4.31 3.02 -1.26 -4.99 115.26 103.08 1mm4 n ASN 101 Ca -0.31 -0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 53.51 1mm4 n ASN 101 Cb 1.14 -4.43 -0.08 0.00 -0.61 0.00 0.00 39.78 35.79 1mm4 n ASN 101 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1mm4 s PHE 102 N -3.20 3.38 -0.22 3.10 5.36 -1.26 -4.81 117.98 120.33 1mm4 s PHE 102 Ca 0.41 0.28 -0.23 0.00 -0.96 0.00 0.00 56.93 56.43 1mm4 s PHE 102 Cb -0.18 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 1mm4 s PHE 102 CO 0.51 0.26 0.73 -1.01 -1.46 0.00 0.00 175.22 174.25 1mm4 s HIS 103 N 0.35 3.35 -0.18 10.12 3.76 -1.05 -4.21 115.29 127.43 1mm4 s HIS 103 Ca 0.07 1.03 -0.06 0.00 -0.15 0.00 0.00 55.06 55.95 1mm4 s HIS 103 Cb -0.11 -2.93 0.08 0.00 1.11 0.00 0.00 32.58 30.73 1mm4 s HIS 103 CO -0.02 -0.29 0.37 -1.17 -0.85 0.00 0.00 174.74 172.79 1mm4 s LEU 104 N 2.36 -0.53 0.35 0.89 0.20 -0.91 -2.59 118.68 118.45 1mm4 s LEU 104 Ca 0.32 0.86 -0.10 0.00 0.69 0.00 0.00 54.13 55.90 1mm4 s LEU 104 Cb -0.16 1.14 0.02 0.00 -0.43 0.00 0.00 46.19 46.77 1mm4 s LEU 104 CO 0.09 -0.23 0.62 -0.83 -0.29 0.00 0.00 176.35 175.71 1mm4 s GLY 105 N 2.55 0.82 -0.11 7.98 0.00 0.40 -1.56 107.32 117.40 1mm4 s GLY 105 Ca -0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.57 1mm4 s GLY 105 CO -0.11 -0.62 0.29 -2.27 0.00 0.00 0.00 173.10 170.39 1mm4 s LEU 106 N -3.12 0.77 -0.01 0.66 0.20 -0.77 -1.55 118.68 114.85 1mm4 s LEU 106 Ca 0.22 0.59 -0.30 0.00 0.69 0.00 0.00 54.13 55.33 1mm4 s LEU 106 Cb -0.03 0.97 0.07 0.00 -0.43 0.00 0.00 46.19 46.77 1mm4 s LEU 106 CO 0.14 -0.12 0.67 -0.83 -0.29 0.00 0.00 176.35 175.93 1mm4 s GLY 107 N 0.39 -0.58 -0.09 7.98 0.00 -0.31 -2.39 107.32 112.31 1mm4 s GLY 107 Ca -0.02 1.18 -0.05 0.00 0.00 0.00 0.00 44.72 45.83 1mm4 s GLY 107 CO -0.02 0.82 0.11 -1.36 0.00 0.00 0.00 173.10 172.66 1mm4 s PHE 108 N -1.63 3.48 -0.12 1.90 0.40 -0.62 -1.68 117.98 119.72 1mm4 s PHE 108 Ca -0.09 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 1mm4 s PHE 108 Cb -0.00 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.67 1mm4 s PHE 108 CO 0.06 0.66 -0.10 0.99 0.70 0.00 0.00 175.22 177.53 1mm4 s THR 109 N -1.04 1.19 -0.35 0.64 2.01 -1.07 -2.01 115.64 115.02 1mm4 s THR 109 Ca 0.16 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1mm4 s THR 109 Cb -0.12 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 1mm4 s THR 109 CO 0.06 0.39 0.23 0.00 -0.69 0.00 0.00 174.62 174.61 1mm4 s ALA 110 N 1.49 3.43 0.01 7.40 0.00 0.40 -1.12 121.76 133.36 1mm4 s ALA 110 Ca 0.02 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 1mm4 s ALA 110 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1mm4 s ALA 110 CO -0.07 -1.07 0.36 0.20 0.00 0.00 0.00 175.76 175.18 1mm4 s GLY 111 N 1.67 2.38 -0.09 0.00 0.00 -0.16 -1.31 107.32 109.81 1mm4 s GLY 111 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1mm4 s GLY 111 CO 0.09 -0.05 -0.08 0.14 0.00 0.00 0.00 173.10 173.20 1mm4 s VAL 112 N -1.18 0.98 -0.05 1.40 1.01 0.43 -1.53 120.40 121.45 1mm4 s VAL 112 Ca 0.26 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1mm4 s VAL 112 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1mm4 s VAL 112 CO 0.14 0.35 -0.18 -0.89 0.00 0.00 0.00 175.10 174.51 1mm4 s THR 113 N 1.37 2.72 -0.11 3.92 2.01 -1.07 -2.59 115.64 121.88 1mm4 s THR 113 Ca -0.02 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1mm4 s THR 113 Cb -0.14 -2.04 0.05 0.00 0.01 0.00 0.00 72.50 70.38 1mm4 s THR 113 CO -0.04 0.58 0.26 0.00 -0.69 0.00 0.00 174.62 174.72 1mm4 s ALA 114 N -0.50 -0.58 -0.05 7.40 0.00 -1.26 -0.78 121.76 126.00 1mm4 s ALA 114 Ca 0.06 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1mm4 s ALA 114 Cb -0.12 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1mm4 s ALA 114 CO 0.01 -0.31 -0.21 -0.98 0.00 0.00 0.00 175.76 174.28 1mm4 s ARG 115 N 1.54 2.47 0.62 0.00 1.70 -1.26 -4.89 118.95 119.14 1mm4 s ARG 115 Ca -0.07 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 1mm4 s ARG 115 Cb -0.11 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 1mm4 s ARG 115 CO -0.09 0.49 0.00 -3.47 -1.08 0.00 0.00 175.30 171.16 1mm4 n ASP 116 N 2.65 -8.11 -0.06 -2.89 -0.08 -1.26 -4.20 116.55 102.60 1mm4 n ASP 116 Ca -0.17 1.42 -0.05 0.00 -1.51 0.00 0.00 54.79 54.48 1mm4 n ASP 116 Cb 0.52 -5.01 -0.11 0.00 2.34 0.00 0.00 41.12 38.86 1mm4 n ASP 116 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1mm4 n ASN 117 N -4.38 1.63 -0.03 1.67 5.15 -1.26 -3.84 115.26 114.20 1mm4 n ASN 117 Ca -0.09 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.80 1mm4 n ASN 117 Cb 0.70 0.95 -0.03 0.00 -0.53 0.00 0.00 39.78 40.87 1mm4 n ASN 117 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1mm4 h TRP 118 N 0.00 0.01 0.02 1.20 2.91 -2.06 -3.25 115.95 114.79 1mm4 h TRP 118 Ca -0.32 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.71 1mm4 h TRP 118 Cb 1.69 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.36 1mm4 h TRP 118 CO 0.00 -0.01 -0.01 -0.97 -1.03 0.00 0.00 178.44 176.42 1mm4 h ASN 119 N 0.07 -0.02 -5.25 2.65 -1.24 -1.84 -3.50 115.58 106.45 1mm4 h ASN 119 Ca 0.09 -0.52 -0.01 0.00 0.71 0.00 0.00 56.30 56.57 1mm4 h ASN 119 Cb 0.10 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1mm4 h ASN 119 CO -0.14 0.72 -0.72 0.00 -1.29 0.00 0.00 177.43 176.01 1mm4 n TYR 120 N -4.72 -3.67 -3.76 0.67 4.19 -1.23 -5.02 117.16 103.63 1mm4 n TYR 120 Ca -0.06 1.55 -0.30 0.00 3.31 0.00 0.00 57.90 62.40 1mm4 n TYR 120 Cb 0.26 -4.01 -0.14 0.00 0.49 0.00 0.00 39.34 35.94 1mm4 n TYR 120 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1mm4 s ILE 121 N -2.18 1.45 0.59 2.97 -1.09 -1.26 -5.09 121.20 116.59 1mm4 s ILE 121 Ca 0.15 -2.35 -0.19 0.00 -2.23 0.00 0.00 60.65 56.02 1mm4 s ILE 121 Cb -0.04 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1mm4 s ILE 121 CO 0.77 -0.82 1.15 -2.65 -1.23 0.00 0.00 174.94 172.16 1mm4 n PRO 122 N 3.84 1.16 -3.55 2.79 -0.02 -1.26 -4.56 135.00 133.40 1mm4 n PRO 122 Ca 0.06 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 1mm4 n PRO 122 Cb 0.36 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 1mm4 n PRO 122 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mm4 n LEU 123 N -1.08 1.90 -4.73 2.45 4.77 0.04 -4.91 117.00 115.45 1mm4 n LEU 123 Ca 0.13 -4.98 -0.41 0.00 -0.03 0.00 0.00 56.01 50.72 1mm4 n LEU 123 Cb 0.46 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1mm4 n LEU 123 CO 0.50 1.91 0.71 -2.16 -1.33 0.00 0.00 177.39 177.02 1mm4 s PRO 124 N -1.31 4.65 -0.21 3.23 0.04 -1.26 -2.60 135.00 137.55 1mm4 s PRO 124 Ca 0.32 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1mm4 s PRO 124 Cb 0.06 -3.35 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1mm4 s PRO 124 CO -0.13 0.15 0.49 0.14 0.04 0.00 0.00 177.00 177.69 1mm4 s VAL 125 N -0.01 -0.14 -0.19 -0.36 -7.23 -0.58 -4.99 120.40 106.90 1mm4 s VAL 125 Ca 0.48 0.08 -0.17 0.00 -1.81 0.00 0.00 61.98 60.56 1mm4 s VAL 125 Cb -0.25 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1mm4 s VAL 125 CO 0.31 0.03 0.44 -0.22 -0.31 0.00 0.00 175.10 175.35 1mm4 s LEU 126 N 1.68 4.17 -0.32 1.32 1.98 -1.26 -0.99 118.68 125.27 1mm4 s LEU 126 Ca -0.08 0.60 0.00 0.00 -2.89 0.00 0.00 54.13 51.76 1mm4 s LEU 126 Cb -0.08 -2.59 0.10 0.00 0.66 0.00 0.00 46.19 44.28 1mm4 s LEU 126 CO -0.15 -0.09 0.09 -0.22 -1.89 0.00 0.00 176.35 174.09 1mm4 s LEU 127 N 1.29 2.82 0.16 -0.68 1.98 -0.28 -5.00 118.68 118.97 1mm4 s LEU 127 Ca 0.21 -1.78 -0.30 0.00 -2.89 0.00 0.00 54.13 49.38 1mm4 s LEU 127 Cb -0.15 -1.04 -0.07 0.00 0.66 0.00 0.00 46.19 45.59 1mm4 s LEU 127 CO 0.09 -0.41 1.16 -2.16 -1.89 0.00 0.00 176.35 173.14 1mm4 s PRO 128 N 1.43 4.52 0.09 0.98 0.04 -1.26 -2.60 135.00 138.19 1mm4 s PRO 128 Ca 0.10 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1mm4 s PRO 128 Cb -0.18 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1mm4 s PRO 128 CO -0.21 -0.06 0.06 -0.48 0.04 0.00 0.00 177.00 176.35 1mm4 s LEU 129 N -0.03 1.99 -0.08 -3.56 0.05 -0.68 -2.59 118.68 113.78 1mm4 s LEU 129 Ca 0.53 -0.98 0.02 0.00 0.05 0.00 0.00 54.13 53.75 1mm4 s LEU 129 Cb -0.31 0.46 0.02 0.00 -2.05 0.00 0.00 46.19 44.31 1mm4 s LEU 129 CO 0.35 -0.68 -0.11 0.00 -0.55 0.00 0.00 176.35 175.35 1mm4 s ALA 130 N -3.95 1.29 -0.29 1.48 0.00 -1.07 -1.16 121.76 118.07 1mm4 s ALA 130 Ca 0.12 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 1mm4 s ALA 130 Cb 0.07 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1mm4 s ALA 130 CO -0.06 -0.00 0.99 0.45 0.00 0.00 0.00 175.76 177.14 1mm4 s SER 131 N 0.89 6.91 -0.08 0.00 0.15 -0.60 -2.59 113.70 118.38 1mm4 s SER 131 Ca -0.10 1.05 -0.03 0.00 0.70 0.00 0.00 55.95 57.56 1mm4 s SER 131 Cb -0.15 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1mm4 s SER 131 CO 0.01 -0.75 0.17 0.68 1.20 0.00 0.00 173.24 174.55 1mm4 s VAL 132 N 3.34 -0.15 -1.09 4.45 -7.23 -0.97 -0.45 120.40 118.30 1mm4 s VAL 132 Ca 0.42 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 1mm4 s VAL 132 Cb -0.13 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.52 1mm4 s VAL 132 CO 0.12 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1mm4 n GLY 133 N 4.67 -0.72 3.13 2.32 0.00 -1.07 -1.42 105.19 112.11 1mm4 n GLY 133 Ca -0.18 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1mm4 n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mm4 s TYR 134 N -3.00 -0.10 0.00 1.61 5.04 -0.61 -2.52 117.35 117.77 1mm4 s TYR 134 Ca 0.00 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1mm4 s TYR 134 Cb 0.00 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1mm4 s TYR 134 CO 0.00 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1mm4 n GLY 135 N 2.00 1.02 0.03 8.97 0.00 -1.26 -2.34 105.19 113.62 1mm4 n GLY 135 Ca -0.19 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.32 1mm4 n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mm4 n PRO 136 N 0.09 0.05 -3.66 1.61 -0.04 -1.26 -4.62 135.00 127.17 1mm4 n PRO 136 Ca 0.00 0.28 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 1mm4 n PRO 136 Cb 0.00 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.76 1mm4 n PRO 136 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mm4 s VAL 137 N -3.07 5.05 0.02 0.52 -7.23 -0.99 -3.72 120.40 110.98 1mm4 s VAL 137 Ca 0.07 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.33 1mm4 s VAL 137 Cb 0.10 -3.38 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 1mm4 s VAL 137 CO 0.31 0.30 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.46 1mm4 s THR 138 N 1.54 0.29 -0.06 5.32 2.01 -0.97 -1.57 115.64 122.21 1mm4 s THR 138 Ca 0.07 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1mm4 s THR 138 Cb -0.15 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 71.99 1mm4 s THR 138 CO 0.08 -0.34 -0.11 0.72 -0.69 0.00 0.00 174.62 174.27 1mm4 s PHE 139 N -1.15 1.34 -0.04 4.92 -0.71 -0.50 -1.03 117.98 120.81 1mm4 s PHE 139 Ca -0.10 -0.47 -0.01 0.00 -1.04 0.00 0.00 56.93 55.31 1mm4 s PHE 139 Cb -0.08 -0.99 -0.04 0.00 -1.21 0.00 0.00 43.02 40.70 1mm4 s PHE 139 CO -0.00 -0.24 0.06 1.14 -1.34 0.00 0.00 175.22 174.83 1mm4 s GLN 140 N 0.62 3.05 -0.21 1.99 0.00 -1.07 -2.29 119.66 121.75 1mm4 s GLN 140 Ca -0.13 -0.44 -0.04 0.00 -0.00 0.00 0.00 55.36 54.76 1mm4 s GLN 140 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 33.01 30.00 1mm4 s GLN 140 CO 0.03 0.67 -0.05 -1.64 0.00 0.00 0.00 175.29 174.31 1mm4 s MET 141 N -1.41 3.40 -0.06 9.60 -1.94 -1.07 -1.24 119.30 126.59 1mm4 s MET 141 Ca 0.19 -0.62 -0.05 0.00 -1.71 0.00 0.00 55.69 53.50 1mm4 s MET 141 Cb -0.12 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1mm4 s MET 141 CO 0.09 -0.14 0.17 0.95 -0.01 0.00 0.00 175.02 176.09 1mm4 s THR 142 N 1.32 5.45 -0.19 2.05 -4.23 -0.23 -2.58 115.64 117.23 1mm4 s THR 142 Ca 0.04 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.59 1mm4 s THR 142 Cb -0.14 -3.48 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1mm4 s THR 142 CO -0.02 0.46 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.91 1mm4 s TYR 143 N -1.19 2.84 -0.29 3.99 5.04 -1.07 -2.58 117.35 124.09 1mm4 s TYR 143 Ca 0.22 -1.28 -0.04 0.00 -2.44 0.00 0.00 57.07 53.53 1mm4 s TYR 143 Cb -0.12 -1.97 0.10 0.00 0.35 0.00 0.00 41.96 40.32 1mm4 s TYR 143 CO 0.12 -0.65 0.15 0.96 -1.34 0.00 0.00 175.55 174.79 1mm4 s ILE 144 N 1.24 -0.11 0.85 3.14 -4.36 -1.25 -4.53 121.20 116.18 1mm4 s ILE 144 Ca 0.03 -0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 59.57 1mm4 s ILE 144 Cb -0.14 -0.98 0.10 0.00 1.25 0.00 0.00 42.46 42.69 1mm4 s ILE 144 CO -0.07 -0.70 1.09 -2.16 0.24 0.00 0.00 174.94 173.34 1mm4 s PRO 145 N 2.12 1.60 0.00 0.37 0.04 -1.26 -4.74 135.00 133.13 1mm4 s PRO 145 Ca 0.09 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1mm4 s PRO 145 Cb -0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1mm4 s PRO 145 CO -0.36 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.07 1mm4 n GLY 146 N -1.28 4.42 3.43 0.56 0.00 -1.26 -5.07 105.19 105.99 1mm4 n GLY 146 Ca 0.07 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.50 1mm4 n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mm4 n THR 147 N 0.00 4.32 -4.04 2.61 -1.04 -1.26 -4.88 114.28 109.99 1mm4 n THR 147 Ca 0.00 -4.85 -0.13 0.00 -2.04 0.00 0.00 64.05 57.03 1mm4 n THR 147 Cb 0.00 -2.48 -0.04 0.00 -1.82 0.00 0.00 70.33 65.99 1mm4 n THR 147 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1mm4 s TYR 148 N 0.98 0.85 -0.02 -1.42 5.04 -1.26 -5.07 117.35 116.44 1mm4 s TYR 148 Ca 0.41 -1.15 -0.26 0.00 -2.44 0.00 0.00 57.07 53.63 1mm4 s TYR 148 Cb -0.04 0.06 -0.20 0.00 0.35 0.00 0.00 41.96 42.13 1mm4 s TYR 148 CO -0.01 -1.16 1.27 -0.91 -1.34 0.00 0.00 175.55 173.40 1mm4 h ASN 149 N 2.13 -0.01 0.00 4.32 -0.26 -2.07 -3.40 115.58 116.28 1mm4 h ASN 149 Ca -0.29 -0.47 0.00 0.00 -0.56 0.00 0.00 56.30 54.98 1mm4 h ASN 149 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1mm4 h ASN 149 CO 0.39 0.47 -0.08 -3.20 -1.06 0.00 0.00 177.43 173.95 1mm4 n ASN 150 N -4.87 0.27 -1.65 5.81 2.85 -1.26 -5.01 115.26 111.41 1mm4 n ASN 150 Ca -0.08 0.31 -0.11 0.00 -0.11 0.00 0.00 54.58 54.59 1mm4 n ASN 150 Cb 0.25 -0.56 0.02 0.00 1.24 0.00 0.00 39.78 40.73 1mm4 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mm4 n GLY 151 N 1.73 0.17 1.81 8.20 0.00 -1.26 -4.94 105.19 110.90 1mm4 n GLY 151 Ca -0.01 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1mm4 n GLY 151 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mm4 n ASN 152 N -0.33 4.70 -4.72 1.61 6.94 -1.26 -4.42 115.26 117.79 1mm4 n ASN 152 Ca -0.03 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.34 1mm4 n ASN 152 Cb 0.55 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 1mm4 n ASN 152 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mm4 s VAL 153 N -4.11 4.51 -0.03 3.53 1.01 -1.26 -5.04 120.40 119.01 1mm4 s VAL 153 Ca 0.53 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.41 1mm4 s VAL 153 Cb 0.44 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1mm4 s VAL 153 CO 0.01 0.18 -0.13 -0.72 0.00 0.00 0.00 175.10 174.44 1mm4 s TYR 154 N 0.79 1.31 0.09 5.22 1.13 -1.26 -3.94 117.35 120.69 1mm4 s TYR 154 Ca 0.53 -0.32 0.07 0.00 -1.41 0.00 0.00 57.07 55.94 1mm4 s TYR 154 Cb -0.24 -0.89 -0.04 0.00 -1.10 0.00 0.00 41.96 39.69 1mm4 s TYR 154 CO 0.29 -0.09 -0.11 -0.06 -2.51 0.00 0.00 175.55 173.07 1mm4 s PHE 155 N -0.04 2.73 0.08 -3.49 0.08 -1.07 -4.94 117.98 111.33 1mm4 s PHE 155 Ca -0.00 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 56.94 1mm4 s PHE 155 Cb -0.08 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 1mm4 s PHE 155 CO 0.01 0.40 -0.05 0.00 -0.10 0.00 0.00 175.22 175.48 1mm4 s ALA 156 N -1.16 3.13 0.17 5.36 0.00 -1.26 -1.07 121.76 126.94 1mm4 s ALA 156 Ca 0.20 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.07 1mm4 s ALA 156 Cb -0.11 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1mm4 s ALA 156 CO 0.12 0.67 -0.08 -1.58 0.00 0.00 0.00 175.76 174.88 1mm4 s TRP 157 N -1.22 1.38 -0.17 0.00 0.52 -0.37 -4.61 118.94 114.47 1mm4 s TRP 157 Ca 0.23 -0.78 -0.15 0.00 0.02 0.00 0.00 56.10 55.42 1mm4 s TRP 157 Cb -0.11 -0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 31.44 1mm4 s TRP 157 CO 0.15 0.09 0.33 -1.64 0.02 0.00 0.00 176.95 175.90 1mm4 s MET 158 N -3.76 4.25 -0.11 4.98 -1.94 -1.07 -2.59 119.30 119.06 1mm4 s MET 158 Ca 0.20 0.15 -0.01 0.00 -1.71 0.00 0.00 55.69 54.32 1mm4 s MET 158 Cb 0.03 -3.45 0.03 0.00 2.01 0.00 0.00 34.83 33.44 1mm4 s MET 158 CO 0.03 0.17 -0.06 0.50 -0.01 0.00 0.00 175.02 175.65 1mm4 s ARG 159 N 0.67 1.32 -0.20 2.03 3.00 -0.20 -2.57 118.95 123.00 1mm4 s ARG 159 Ca 0.18 -0.20 -0.02 0.00 -1.00 0.00 0.00 55.73 54.68 1mm4 s ARG 159 Cb -0.14 -1.50 -0.00 0.00 0.00 0.00 0.00 34.95 33.31 1mm4 s ARG 159 CO 0.05 -0.29 -0.09 0.12 0.00 0.00 0.00 175.30 175.09 1mm4 s PHE 160 N 1.76 2.90 -0.24 5.12 2.19 -1.07 -2.28 117.98 126.36 1mm4 s PHE 160 Ca 0.05 -1.10 -0.07 0.00 0.33 0.00 0.00 56.93 56.14 1mm4 s PHE 160 Cb -0.13 -2.03 -0.03 0.00 -1.31 0.00 0.00 43.02 39.52 1mm4 s PHE 160 CO -0.08 -0.59 0.06 1.14 1.83 0.00 0.00 175.22 177.59 1mm4 s GLN 161 N 1.33 3.69 0.09 10.12 -2.07 -1.24 -1.64 119.66 129.94 1mm4 s GLN 161 Ca 0.04 -0.47 0.03 0.00 -1.82 0.00 0.00 55.36 53.15 1mm4 s GLN 161 Cb -0.14 -3.29 -0.04 0.00 -1.09 0.00 0.00 33.01 28.46 1mm4 s GLN 161 CO -0.05 -0.12 -0.10 -0.59 -1.32 0.00 0.00 175.29 173.12 1mm4 s PHE 162 N 1.41 1.01 0.43 9.60 -0.12 -0.70 -4.86 117.98 124.76 1mm4 s PHE 162 Ca 0.05 -0.66 -0.04 0.00 -0.05 0.00 0.00 56.93 56.23 1mm4 s PHE 162 Cb -0.15 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.64 1mm4 s PHE 162 CO 0.03 -0.02 0.70 -1.17 -0.05 0.00 0.00 175.22 174.71 1mm4 s LEU 163 N -2.42 3.77 -1.03 -1.99 2.96 -1.26 -2.25 118.68 116.46 1mm4 s LEU 163 Ca 0.05 0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 54.59 1mm4 s LEU 163 Cb -0.03 -3.70 0.18 0.00 0.50 0.00 0.00 46.19 43.15 1mm4 s LEU 163 CO -0.00 -0.47 1.16 -1.83 -1.32 0.00 0.00 176.35 173.89 1mm4 s GLU 164 N -4.52 3.86 -0.17 1.98 4.04 -1.25 -4.71 118.70 117.93 1mm4 s GLU 164 Ca 0.45 -2.40 0.12 0.00 0.04 0.00 0.00 54.97 53.19 1mm4 s GLU 164 Cb -0.10 -4.81 -0.19 0.00 0.02 0.00 0.00 34.13 29.04 1mm4 s GLU 164 CO 0.41 -1.59 0.01 0.72 -1.84 0.00 0.00 175.26 172.97 1mm4 n HIS 165 N 5.14 0.00 -1.36 4.83 8.25 -1.26 -5.11 115.22 125.71 1mm4 n HIS 165 Ca 0.26 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.90 1mm4 n HIS 165 Cb 0.45 -0.82 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 1mm4 n HIS 165 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1mm4 n HIS 166 N -2.70 -3.43 -2.68 4.41 -0.00 -1.26 -4.76 115.22 104.79 1mm4 n HIS 166 Ca -0.29 1.73 -0.40 0.00 0.46 0.00 0.00 57.72 59.22 1mm4 n HIS 166 Cb 1.01 -3.12 -0.05 0.00 -0.12 0.00 0.00 29.99 27.72 1mm4 n HIS 166 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1mm4 s HIS 167 N -2.37 3.86 -0.97 1.57 2.46 -1.26 -4.99 115.29 113.58 1mm4 s HIS 167 Ca 0.00 1.83 -0.02 0.00 0.47 0.00 0.00 55.06 57.34 1mm4 s HIS 167 Cb 0.00 -3.07 0.28 0.00 -0.13 0.00 0.00 32.58 29.66 1mm4 s HIS 167 CO 0.00 0.15 1.22 1.58 -2.47 0.00 0.00 174.74 175.22 1mm4 n HIS 168 N 1.74 3.10 -2.18 3.88 -0.00 -1.26 -4.70 115.22 115.80 1mm4 n HIS 168 Ca -0.01 -3.23 0.02 0.00 0.46 0.00 0.00 57.72 54.97 1mm4 n HIS 168 Cb 0.47 -1.15 0.09 0.00 -0.12 0.00 0.00 29.99 29.28 1mm4 n HIS 168 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1mm4 n HIS 169 N 1.48 0.32 1.10 1.57 -0.00 -1.26 -5.33 115.22 113.10 1mm4 n HIS 169 Ca 0.26 -1.14 0.09 0.00 0.46 0.00 0.00 57.72 57.39 1mm4 n HIS 169 Cb 0.36 -0.21 0.52 0.00 -0.12 0.00 0.00 29.99 30.54 1mm4 n HIS 169 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52